Density-functional toolkit
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Updated
May 15, 2024 - Julia
Density-functional toolkit
RHEOS - Open Source Rheology data analysis software
Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
A Julia wrapper for the spglib C-API
Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.
Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations
Support for reading and using pseudopotentials in Julia
A notation system in crystallography for lattice planes in crystal (Bravais) lattices
This package contains some basic functionalities of Crystallography.jl
Automatic Differentiation of Interatomic Potentials with Phonons in Julia: ADIP².jl
Provides some crystallography operations
loss optimization under unitary constraint
This package could handle the interaction with Quantum ESPRESSO software
This package contains some core functionalities of Crystallography.jl
A Julia-Python interface of https://github.com/MineralsCloud/qha
Calculate linear elasticity for some crystals
A simple composition-based feature vectorization utility in Julia
Implements the basic functionalities of LinearElasticity.jl
Plotting crystal structures and relevant data obtained from CrystallographyBase.jl and Crystallography.jl
A command-line interface to EquationsOfState.jl (in progress)
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